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2-Butyl-1,5-diphenyl-1,4-pentadien-3-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Butyl-1,5-diphenyl-1,4-pentadien-3-one
SpectraBase Compound ID 7in4agbfzy6
InChI InChI=1S/C21H22O/c1-2-3-14-20(17-19-12-8-5-9-13-19)21(22)16-15-18-10-6-4-7-11-18/h4-13,15-17H,2-3,14H2,1H3/b16-15+,20-17+
InChIKey VZWYITKDASXBLJ-RGNITQOASA-N
Mol Weight 290.41 g/mol
Molecular Formula C21H22O
Exact Mass 290.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IiNoq73x2kw
Name 2-Butyl-1,5-diphenyl-1,4-pentadien-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.167065327 u
Formula C21H22O
InChI InChI=1S/C21H22O/c1-2-3-14-20(17-19-12-8-5-9-13-19)21(22)16-15-18-10-6-4-7-11-18/h4-13,15-17H,2-3,14H2,1H3/b16-15+,20-17+
InChIKey VZWYITKDASXBLJ-RGNITQOASA-N
SMILES C1(\C=C\(C(\C=C\C=2C=CC=CC2)=O)CCCC)=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955508